# generated using pymatgen data_Li3Ca2TmPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85792916 _cell_length_b 4.85792872 _cell_length_c 10.94572024 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000294 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ca2TmPb3 _chemical_formula_sum 'Li3 Ca2 Tm1 Pb3' _cell_volume 223.70581771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.66666700 0.33333300 0.80746283 1.0 Li Li1 1 0.33333300 0.66666700 0.50000000 1.0 Li Li2 1 0.66666700 0.33333300 0.19253717 1.0 Ca Ca3 1 0.00000000 0.00000000 0.33778621 1.0 Ca Ca4 1 0.00000000 0.00000000 0.66221379 1.0 Tm Tm5 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb6 1 0.33333300 0.66666700 0.14632946 1.0 Pb Pb7 1 0.33333300 0.66666700 0.85367054 1.0 Pb Pb8 1 0.66666700 0.33333300 0.50000000 1.0